#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4w s SER 2 N 0.00 0.15 -0.19 0.00 0.01 -1.26 -0.89 113.70 111.53 2k4w s SER 2 Ca 0.00 -0.51 -0.14 0.00 1.31 0.00 0.00 55.95 56.61 2k4w s SER 2 Cb 0.00 0.24 0.05 0.00 0.21 0.00 0.00 66.02 66.52 2k4w s SER 2 CO 0.00 -0.52 0.48 -0.70 0.41 0.00 0.00 173.24 172.91 2k4w s GLU 3 N -2.62 0.52 -0.42 12.44 2.56 0.45 -4.99 118.70 126.64 2k4w s GLU 3 Ca -0.05 0.76 -0.22 0.00 0.00 0.00 0.00 54.97 55.46 2k4w s GLU 3 Cb -0.01 0.16 0.02 0.00 2.00 0.00 0.00 34.13 36.30 2k4w s GLU 3 CO -0.05 -0.10 0.73 0.21 -0.56 0.00 0.00 175.26 175.49 2k4w s LYS 4 N 0.75 3.46 -0.20 4.30 2.20 -1.26 -0.86 119.74 128.13 2k4w s LYS 4 Ca -0.04 -0.09 -0.10 0.00 -0.36 0.00 0.00 55.97 55.39 2k4w s LYS 4 Cb -0.05 -3.91 -0.05 0.00 -1.51 0.00 0.00 37.83 32.32 2k4w s LYS 4 CO -0.06 -1.00 0.12 0.08 -0.36 0.00 0.00 175.35 174.13 2k4w s VAL 5 N 3.07 5.26 -0.39 4.02 1.01 0.17 -4.91 120.40 128.64 2k4w s VAL 5 Ca 0.28 0.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.10 2k4w s VAL 5 Cb -0.13 -3.40 0.02 0.00 0.00 0.00 0.00 36.38 32.86 2k4w s VAL 5 CO 0.20 0.43 1.23 -0.83 0.00 0.00 0.00 175.10 176.13 2k4w s GLY 6 N 0.47 1.32 -1.04 4.51 0.00 -1.26 -0.77 107.32 110.55 2k4w s GLY 6 Ca 0.07 -0.17 -0.16 0.00 0.00 0.00 0.00 44.72 44.46 2k4w s GLY 6 CO -0.01 2.52 1.21 1.06 0.00 0.00 0.00 173.10 177.88 2k4w s MET 7 N 4.35 3.83 0.32 2.90 -1.94 -1.25 -4.38 119.30 123.13 2k4w s MET 7 Ca 0.53 -2.25 -0.29 0.00 -1.71 0.00 0.00 55.69 51.97 2k4w s MET 7 Cb -0.12 -4.90 -0.10 0.00 2.01 0.00 0.00 34.83 31.72 2k4w s MET 7 CO 0.27 -1.68 1.27 -0.80 -0.01 0.00 0.00 175.02 174.06 2k4w s ASN 8 N 3.01 6.87 0.26 3.03 -0.87 -1.24 -4.65 114.94 121.34 2k4w s ASN 8 Ca 0.35 2.60 -0.30 0.00 -1.57 0.00 0.00 52.86 53.94 2k4w s ASN 8 Cb -0.05 -2.64 -0.10 0.00 -0.02 0.00 0.00 41.25 38.43 2k4w s ASN 8 CO -0.06 -0.46 1.47 -0.76 -2.57 0.00 0.00 177.10 174.72 2k4w s LEU 9 N -1.66 4.38 0.07 0.60 1.43 -0.52 -0.77 118.68 122.20 2k4w s LEU 9 Ca 0.48 2.73 0.01 0.00 -1.03 0.00 0.00 54.13 56.32 2k4w s LEU 9 Cb -0.38 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.18 2k4w s LEU 9 CO 0.50 -0.75 -0.06 0.68 0.23 0.00 0.00 176.35 176.96 2k4w s VAL 10 N -0.01 0.50 -0.32 -1.59 -7.23 -1.11 -1.39 120.40 109.26 2k4w s VAL 10 Ca 0.60 -1.56 0.05 0.00 -1.81 0.00 0.00 61.98 59.26 2k4w s VAL 10 Cb -0.43 -1.20 0.21 0.00 0.56 0.00 0.00 36.38 35.52 2k4w s VAL 10 CO 0.44 -0.72 1.16 1.07 -0.31 0.00 0.00 175.10 176.74 2k4w n THR 11 N 0.58 0.00 0.00 5.32 5.66 -1.25 -4.67 114.28 119.92 2k4w n THR 11 Ca -0.17 -0.93 0.00 0.00 -3.05 0.00 0.00 64.05 59.91 2k4w n THR 11 Cb 0.58 0.76 0.00 0.00 -1.55 0.00 0.00 70.33 70.13 2k4w n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4w n ALA 12 N -0.60 0.00 1.41 1.79 0.00 -1.12 -4.66 120.51 117.33 2k4w n ALA 12 Ca -0.15 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.43 2k4w n ALA 12 Cb 0.73 -0.06 0.59 0.00 0.00 0.00 0.00 19.45 20.71 2k4w n ALA 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k4w n GLN 13 N -1.64 0.76 0.00 0.00 3.00 -1.26 -4.54 117.38 113.71 2k4w n GLN 13 Ca 0.00 -0.29 0.00 0.00 -0.01 0.00 0.00 57.00 56.70 2k4w n GLN 13 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.75 2k4w n GLN 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k4w n GLY 14 N 1.27 -0.97 3.71 1.08 0.00 -1.26 -5.00 105.19 104.01 2k4w n GLY 14 Ca 0.15 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 2k4w n GLY 14 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k4w s VAL 15 N 0.00 3.13 0.00 1.61 1.01 -1.26 -3.85 120.40 121.04 2k4w s VAL 15 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.72 2k4w s VAL 15 Cb 0.00 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.91 2k4w s VAL 15 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.75 2k4w n GLY 16 N 3.69 0.31 3.56 4.51 0.00 -0.48 -5.03 105.19 111.74 2k4w n GLY 16 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 2k4w n GLY 16 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k4w s GLN 17 N 0.00 0.72 -0.01 1.61 1.03 -1.25 -4.98 119.66 116.78 2k4w s GLN 17 Ca 0.00 -0.29 0.04 0.00 0.04 0.00 0.00 55.36 55.15 2k4w s GLN 17 Cb 0.00 0.32 -0.03 0.00 0.03 0.00 0.00 33.01 33.32 2k4w s GLN 17 CO 0.00 -0.32 -0.11 0.45 -2.54 0.00 0.00 175.29 172.78 2k4w s SER 18 N -2.48 4.34 -0.46 12.60 0.15 -1.26 -1.44 113.70 125.14 2k4w s SER 18 Ca 0.07 -0.20 0.03 0.00 0.70 0.00 0.00 55.95 56.56 2k4w s SER 18 Cb -0.01 -0.95 0.49 0.00 -1.71 0.00 0.00 66.02 63.84 2k4w s SER 18 CO -0.07 0.30 1.66 -0.38 1.20 0.00 0.00 173.24 175.96 2k4w n ILE 19 N 1.79 3.06 -1.35 6.45 2.08 -1.26 -5.00 119.36 125.12 2k4w n ILE 19 Ca -0.16 -3.19 0.00 0.00 0.56 0.00 0.00 62.75 59.96 2k4w n ILE 19 Cb 0.52 -0.92 0.00 0.00 -0.75 0.00 0.00 39.64 38.49 2k4w n ILE 19 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2k4w n GLY 20 N -0.92 -0.25 3.29 7.39 0.00 -1.26 -2.90 105.19 110.54 2k4w n GLY 20 Ca 0.51 -1.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 2k4w n GLY 20 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k4w s THR 21 N -3.58 0.00 -0.04 2.61 -4.23 -1.26 -3.78 115.64 105.36 2k4w s THR 21 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 2k4w s THR 21 Cb 0.00 -2.50 -0.00 0.00 1.34 0.00 0.00 72.50 71.34 2k4w s THR 21 CO 0.00 0.00 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.25 2k4w s VAL 22 N -3.42 1.16 -0.13 2.29 1.01 0.05 -2.83 120.40 118.54 2k4w s VAL 22 Ca 0.41 -0.57 -0.22 0.00 0.00 0.00 0.00 61.98 61.61 2k4w s VAL 22 Cb 0.02 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 2k4w s VAL 22 CO 0.28 0.34 0.64 0.54 0.00 0.00 0.00 175.10 176.91 2k4w s VAL 23 N 0.12 5.05 -0.13 2.92 0.11 0.03 -0.65 120.40 127.84 2k4w s VAL 23 Ca -0.04 1.27 -0.04 0.00 -2.93 0.00 0.00 61.98 60.24 2k4w s VAL 23 Cb -0.10 -3.97 -0.03 0.00 -1.53 0.00 0.00 36.38 30.74 2k4w s VAL 23 CO 0.01 0.20 0.02 -0.63 -3.33 0.00 0.00 175.10 171.37 2k4w s ILE 24 N 1.25 4.41 -0.01 7.04 1.01 -0.04 -0.89 121.20 133.97 2k4w s ILE 24 Ca 0.32 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.79 2k4w s ILE 24 Cb -0.16 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.40 2k4w s ILE 24 CO 0.13 0.53 -0.00 -0.62 0.00 0.00 0.00 174.94 174.98 2k4w s ASP 25 N -0.20 0.27 0.43 3.58 2.15 -0.54 -0.41 116.67 121.95 2k4w s ASP 25 Ca 0.06 -0.02 -0.06 0.00 0.43 0.00 0.00 52.55 52.95 2k4w s ASP 25 Cb -0.12 -0.10 -0.05 0.00 -0.30 0.00 0.00 42.92 42.35 2k4w s ASP 25 CO 0.02 -0.04 0.74 -1.83 -0.17 0.00 0.00 175.17 173.88 2k4w s GLU 26 N 0.51 3.62 0.30 4.34 4.04 -0.07 -0.45 118.70 130.99 2k4w s GLU 26 Ca -0.05 0.22 -0.11 0.00 0.04 0.00 0.00 54.97 55.08 2k4w s GLU 26 Cb -0.07 -2.43 0.01 0.00 0.02 0.00 0.00 34.13 31.65 2k4w s GLU 26 CO -0.01 -0.09 0.53 -0.08 -1.84 0.00 0.00 175.26 173.78 2k4w s THR 27 N -2.53 0.00 -0.66 1.83 -1.32 0.17 -4.18 115.64 108.95 2k4w s THR 27 Ca 0.48 -1.39 0.21 0.00 -1.21 0.00 0.00 61.69 59.78 2k4w s THR 27 Cb -0.10 -2.43 0.21 0.00 -1.51 0.00 0.00 72.50 68.67 2k4w s THR 27 CO 0.39 0.00 1.64 1.21 -2.21 0.00 0.00 174.62 175.64 2k4w n GLU 28 N -0.46 0.13 -0.72 7.08 2.13 -1.26 -0.17 120.64 127.37 2k4w n GLU 28 Ca -0.02 0.36 0.07 0.00 0.66 0.00 0.00 57.16 58.22 2k4w n GLU 28 Cb 0.61 -1.75 0.35 0.00 0.27 0.00 0.00 31.44 30.92 2k4w n GLU 28 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k4w n GLY 29 N 0.05 2.69 5.65 8.31 0.00 -1.26 -4.90 105.19 115.74 2k4w n GLY 29 Ca 0.03 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2k4w n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 30 N 0.69 0.23 3.51 -0.02 0.00 0.76 -2.72 105.19 107.64 2k4w n GLY 30 Ca 0.24 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 2k4w n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k4w s LEU 31 N 0.00 4.03 -0.46 0.99 1.43 -0.93 -0.65 118.68 123.08 2k4w s LEU 31 Ca 0.00 -0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 52.29 2k4w s LEU 31 Cb 0.00 -2.69 0.03 0.00 0.03 0.00 0.00 46.19 43.55 2k4w s LEU 31 CO 0.00 -1.38 1.12 -0.75 0.23 0.00 0.00 176.35 175.56 2k4w s LYS 32 N 4.27 3.74 -0.28 1.70 2.20 0.41 -1.17 119.74 130.61 2k4w s LYS 32 Ca 0.29 0.58 -0.12 0.00 -0.36 0.00 0.00 55.97 56.37 2k4w s LYS 32 Cb -0.13 -3.89 -0.05 0.00 -1.51 0.00 0.00 37.83 32.25 2k4w s LYS 32 CO 0.16 -1.33 0.21 0.12 -0.36 0.00 0.00 175.35 174.16 2k4w s PHE 33 N 4.34 3.22 -0.21 4.03 5.36 0.74 -1.46 117.98 134.00 2k4w s PHE 33 Ca 0.47 0.13 -0.01 0.00 -0.96 0.00 0.00 56.93 56.56 2k4w s PHE 33 Cb -0.08 -2.41 0.06 0.00 -0.34 0.00 0.00 43.02 40.25 2k4w s PHE 33 CO 0.30 -0.18 -0.02 0.99 -1.46 0.00 0.00 175.22 174.85 2k4w s THR 34 N 1.79 1.10 0.64 0.12 2.01 -0.06 -1.30 115.64 119.94 2k4w s THR 34 Ca 0.08 -0.91 -0.07 0.00 0.31 0.00 0.00 61.69 61.10 2k4w s THR 34 Cb -0.16 -1.46 0.03 0.00 0.01 0.00 0.00 72.50 70.92 2k4w s THR 34 CO 0.11 -0.12 0.96 -2.16 -0.69 0.00 0.00 174.62 172.71 2k4w s PRO 35 N 1.59 2.65 0.00 4.92 0.04 -1.26 -0.79 135.00 142.15 2k4w s PRO 35 Ca -0.03 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 60.95 2k4w s PRO 35 Cb -0.18 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.15 2k4w s PRO 35 CO -0.07 -0.93 0.60 -2.39 0.04 0.00 0.00 177.00 174.26 2k4w n HIS 36 N -2.74 0.00 -2.84 0.56 1.44 -1.08 -4.16 115.22 106.40 2k4w n HIS 36 Ca 0.06 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.39 2k4w n HIS 36 Cb 0.59 0.13 -0.06 0.00 0.12 0.00 0.00 29.99 30.76 2k4w n HIS 36 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2k4w s LEU 37 N 0.00 4.41 -0.04 2.39 1.02 -1.19 -4.77 118.68 120.50 2k4w s LEU 37 Ca 0.00 1.78 0.13 0.00 0.02 0.00 0.00 54.13 56.06 2k4w s LEU 37 Cb 0.00 -3.83 0.40 0.00 0.02 0.00 0.00 46.19 42.78 2k4w s LEU 37 CO 0.00 0.01 1.33 2.29 0.02 0.00 0.00 176.35 180.00 2k4w n LYS 38 N 0.83 2.94 -3.06 1.70 0.00 -1.14 -1.51 118.16 117.91 2k4w n LYS 38 Ca 0.00 -2.30 -0.18 0.00 -0.00 0.00 0.00 58.31 55.83 2k4w n LYS 38 Cb 0.50 -1.44 -0.03 0.00 -0.00 0.00 0.00 35.03 34.05 2k4w n LYS 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k4w n ALA 39 N 0.43 1.04 -2.14 0.58 0.00 -0.84 -4.40 120.51 115.18 2k4w n ALA 39 Ca 0.15 -2.60 -0.09 0.00 0.00 0.00 0.00 53.44 50.90 2k4w n ALA 39 Cb 0.56 -1.01 -0.10 0.00 0.00 0.00 0.00 19.45 18.90 2k4w n ALA 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k4w s LEU 40 N -0.71 2.12 0.13 0.00 1.02 -0.70 -4.95 118.68 115.59 2k4w s LEU 40 Ca 0.33 -1.12 -0.31 0.00 0.02 0.00 0.00 54.13 53.06 2k4w s LEU 40 Cb 0.16 0.19 -0.10 0.00 0.02 0.00 0.00 46.19 46.46 2k4w s LEU 40 CO -0.16 -0.64 1.70 -2.16 0.02 0.00 0.00 176.35 175.10 2k4w s PRO 41 N -3.97 4.17 -0.23 1.29 0.04 -1.26 -4.48 135.00 130.56 2k4w s PRO 41 Ca 0.17 2.45 0.01 0.00 0.04 0.00 0.00 61.00 63.67 2k4w s PRO 41 Cb 0.07 -3.43 0.25 0.00 0.04 0.00 0.00 34.50 31.44 2k4w s PRO 41 CO -0.03 -0.74 1.64 -0.35 0.04 0.00 0.00 177.00 177.57 2k4w n PRO 42 N 5.04 1.61 0.00 0.56 -0.04 -1.26 -4.68 135.00 136.22 2k4w n PRO 42 Ca 0.16 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.28 2k4w n PRO 42 Cb 0.39 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 2k4w n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k4w n GLY 43 N 0.06 2.10 3.18 0.55 0.00 -1.25 -3.10 105.19 106.73 2k4w n GLY 43 Ca 0.26 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 2k4w n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k4w s GLU 44 N 4.31 1.98 0.06 1.61 8.01 -1.26 -0.35 118.70 133.06 2k4w s GLU 44 Ca 0.00 -0.70 0.05 0.00 0.01 0.00 0.00 54.97 54.32 2k4w s GLU 44 Cb 0.00 -1.72 -0.03 0.00 -4.31 0.00 0.00 34.13 28.07 2k4w s GLU 44 CO 0.00 0.30 -0.13 -1.01 0.01 0.00 0.00 175.26 174.43 2k4w s HIS 45 N -0.08 1.14 0.35 1.61 3.76 -0.23 -4.51 115.29 117.33 2k4w s HIS 45 Ca -0.02 -0.45 -0.29 0.00 -0.15 0.00 0.00 55.06 54.15 2k4w s HIS 45 Cb -0.12 -0.65 -0.11 0.00 1.11 0.00 0.00 32.58 32.81 2k4w s HIS 45 CO 0.02 0.04 1.49 0.41 -0.85 0.00 0.00 174.74 175.85 2k4w n GLY 46 N 1.39 1.16 2.63 -2.22 0.00 -0.18 0.07 105.19 108.04 2k4w n GLY 46 Ca -0.21 0.35 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 2k4w n GLY 46 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k4w s PHE 47 N -0.82 0.52 0.36 1.61 5.36 -1.26 -1.11 117.98 122.64 2k4w s PHE 47 Ca 0.56 -0.66 0.09 0.00 -0.96 0.00 0.00 56.93 55.97 2k4w s PHE 47 Cb -0.49 -0.88 -0.06 0.00 -0.34 0.00 0.00 43.02 41.24 2k4w s PHE 47 CO 0.60 -0.63 -0.03 -1.01 -1.46 0.00 0.00 175.22 172.69 2k4w s HIS 48 N 2.03 2.48 -0.05 10.12 3.76 -1.15 -4.41 115.29 128.06 2k4w s HIS 48 Ca 0.03 -0.52 -0.11 0.00 -0.15 0.00 0.00 55.06 54.31 2k4w s HIS 48 Cb -0.16 -1.52 -0.05 0.00 1.11 0.00 0.00 32.58 31.96 2k4w s HIS 48 CO -0.16 0.51 0.29 0.42 -0.85 0.00 0.00 174.74 174.95 2k4w s ILE 49 N -2.60 5.24 0.04 0.60 1.01 -1.10 -2.07 121.20 122.31 2k4w s ILE 49 Ca 0.34 0.57 0.01 0.00 0.00 0.00 0.00 60.65 61.57 2k4w s ILE 49 Cb 0.03 -3.58 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 2k4w s ILE 49 CO 0.18 0.59 -0.06 -1.00 0.00 0.00 0.00 174.94 174.66 2k4w s HIS 50 N -1.04 0.56 -0.90 3.97 3.76 -0.91 -4.54 115.29 116.18 2k4w s HIS 50 Ca 0.20 -0.63 0.15 0.00 -0.15 0.00 0.00 55.06 54.63 2k4w s HIS 50 Cb -0.15 -0.35 0.64 0.00 1.11 0.00 0.00 32.58 33.83 2k4w s HIS 50 CO 0.09 -0.16 1.47 0.00 -0.85 0.00 0.00 174.74 175.29 2k4w n ALA 51 N 1.14 1.59 -3.24 -1.40 0.00 0.31 -2.80 120.51 116.12 2k4w n ALA 51 Ca -0.21 -0.02 -0.15 0.00 0.00 0.00 0.00 53.44 53.06 2k4w n ALA 51 Cb 0.56 -1.24 -0.15 0.00 0.00 0.00 0.00 19.45 18.62 2k4w n ALA 51 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2k4w s ASN 52 N -3.23 0.38 -1.51 0.00 0.01 -0.42 -4.84 114.94 105.33 2k4w s ASN 52 Ca 0.06 -0.04 -0.10 0.00 -0.71 0.00 0.00 52.86 52.07 2k4w s ASN 52 Cb 0.09 -0.13 -0.10 0.00 0.41 0.00 0.00 41.25 41.52 2k4w s ASN 52 CO 0.26 -0.03 2.94 0.61 -1.51 0.00 0.00 177.10 179.37 2k4w n GLY 53 N 3.53 4.11 3.25 0.66 0.00 -0.93 -3.72 105.19 112.10 2k4w n GLY 53 Ca -0.19 -1.44 -0.05 0.00 0.00 0.00 0.00 46.02 44.33 2k4w n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k4w s SER 54 N 2.25 -0.49 0.00 1.61 1.04 -1.24 -4.82 113.70 112.05 2k4w s SER 54 Ca 0.68 0.93 0.12 0.00 0.48 0.00 0.00 55.95 58.16 2k4w s SER 54 Cb 0.18 1.61 0.37 0.00 0.10 0.00 0.00 66.02 68.28 2k4w s SER 54 CO -0.06 -0.25 1.30 0.00 0.98 0.00 0.00 173.24 175.21 2k4w s GLN 56 N -1.55 4.31 0.41 0.00 1.11 -1.26 -4.30 119.66 118.38 2k4w s GLN 56 Ca 0.25 2.08 0.05 0.00 0.01 0.00 0.00 55.36 57.75 2k4w s GLN 56 Cb 0.13 -3.30 0.00 0.00 -1.01 0.00 0.00 33.01 28.84 2k4w s GLN 56 CO 0.18 -0.47 0.57 -1.25 0.01 0.00 0.00 175.29 174.33 2k4w s PRO 57 N 1.31 2.97 0.41 2.91 0.04 -1.26 -0.46 135.00 140.92 2k4w s PRO 57 Ca 0.65 -0.92 0.08 0.00 0.04 0.00 0.00 61.00 60.85 2k4w s PRO 57 Cb -0.37 -2.71 -0.02 0.00 0.04 0.00 0.00 34.50 31.45 2k4w s PRO 57 CO 0.30 -0.18 0.40 0.00 0.04 0.00 0.00 177.00 177.55 2k4w s ALA 58 N -2.37 4.10 -0.20 8.56 0.00 -1.26 -4.90 121.76 125.69 2k4w s ALA 58 Ca 0.49 -1.84 0.01 0.00 0.00 0.00 0.00 51.96 50.62 2k4w s ALA 58 Cb -0.10 -1.10 0.03 0.00 0.00 0.00 0.00 23.12 21.95 2k4w s ALA 58 CO 0.34 -0.21 -0.17 0.42 0.00 0.00 0.00 175.76 176.13 2k4w s ILE 59 N -2.45 2.14 0.08 0.00 -1.09 -1.26 -0.40 121.20 118.22 2k4w s ILE 59 Ca 0.48 -1.08 -0.16 0.00 -2.23 0.00 0.00 60.65 57.66 2k4w s ILE 59 Cb -0.04 -1.98 0.03 0.00 -1.58 0.00 0.00 42.46 38.89 2k4w s ILE 59 CO 0.28 0.40 0.38 -0.54 -1.23 0.00 0.00 174.94 174.24 2k4w s LYS 60 N 1.25 0.97 -1.46 2.79 1.02 -0.61 -5.00 119.74 118.70 2k4w s LYS 60 Ca 0.02 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.44 2k4w s LYS 60 Cb -0.15 0.43 0.00 0.00 -0.52 0.00 0.00 37.83 37.59 2k4w s LYS 60 CO -0.11 -0.35 0.00 -3.47 -0.92 0.00 0.00 175.35 170.50 2k4w n ASP 61 N 0.15 -4.65 0.00 2.83 2.03 -1.26 -0.60 116.55 115.05 2k4w n ASP 61 Ca -0.17 0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2k4w n ASP 61 Cb 0.62 -3.98 0.00 0.00 -0.72 0.00 0.00 41.12 37.03 2k4w n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k4w n GLY 62 N -0.74 0.42 0.90 0.27 0.00 -1.26 -5.01 105.19 99.76 2k4w n GLY 62 Ca -0.18 -1.03 -0.02 0.00 0.00 0.00 0.00 46.02 44.79 2k4w n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLN 63 N -2.92 0.26 -3.87 1.61 10.64 0.23 -5.19 117.38 118.15 2k4w n GLN 63 Ca 0.00 -0.51 -0.12 0.00 -1.83 0.00 0.00 57.00 54.54 2k4w n GLN 63 Cb 0.01 0.64 -0.14 0.00 -0.86 0.00 0.00 30.24 29.89 2k4w n GLN 63 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k4w s ALA 64 N -1.26 -0.02 -0.15 2.61 0.00 -1.26 -1.58 121.76 120.11 2k4w s ALA 64 Ca 0.04 0.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.01 2k4w s ALA 64 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.10 2k4w s ALA 64 CO 0.03 -0.01 2.48 0.28 0.00 0.00 0.00 175.76 178.54 2k4w n VAL 65 N 3.10 2.61 0.00 0.00 0.31 0.46 -4.86 118.33 119.95 2k4w n VAL 65 Ca -0.12 -1.37 0.00 0.00 -0.01 0.00 0.00 64.34 62.84 2k4w n VAL 65 Cb 0.60 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 2k4w n VAL 65 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k4w n ALA 66 N 1.34 0.00 0.00 3.52 0.00 -1.26 -3.27 120.51 120.84 2k4w n ALA 66 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2k4w n ALA 66 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 2k4w n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4w n ALA 67 N 0.00 0.00 -0.10 0.00 0.00 -1.26 -2.80 120.51 116.35 2k4w n ALA 67 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2k4w n ALA 67 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 2k4w n ALA 67 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k4w n GLU 68 N 0.00 0.68 -0.06 0.00 2.13 0.39 -4.47 120.64 119.30 2k4w n GLU 68 Ca 0.00 0.15 0.00 0.00 0.66 0.00 0.00 57.16 57.97 2k4w n GLU 68 Cb 0.00 -1.57 0.00 0.00 0.27 0.00 0.00 31.44 30.14 2k4w n GLU 68 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k4w n ALA 69 N -3.12 2.43 0.82 4.31 0.00 -0.93 -4.24 120.51 119.79 2k4w n ALA 69 Ca -0.41 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.14 2k4w n ALA 69 Cb 1.03 -1.05 -0.10 0.00 0.00 0.00 0.00 19.45 19.33 2k4w n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4w n ALA 70 N 0.80 4.33 -0.61 0.00 0.00 -1.15 -3.61 120.51 120.26 2k4w n ALA 70 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2k4w n ALA 70 Cb 0.37 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2k4w n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k4w n GLY 71 N 1.46 0.69 6.99 0.00 0.00 -1.26 -1.30 105.19 111.78 2k4w n GLY 71 Ca 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2k4w n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 72 N -2.41 2.10 0.00 -0.02 0.00 -1.26 -4.11 105.19 99.48 2k4w n GLY 72 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2k4w n GLY 72 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k4w n HIS 73 N 0.00 0.00 -2.90 1.61 8.25 -1.26 -4.87 115.22 116.05 2k4w n HIS 73 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 2k4w n HIS 73 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2k4w n HIS 73 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2k4w s LEU 74 N 0.00 -0.44 0.00 2.41 0.20 -1.26 -0.53 118.68 119.06 2k4w s LEU 74 Ca 0.00 -0.14 0.00 0.00 0.69 0.00 0.00 54.13 54.68 2k4w s LEU 74 Cb 0.00 0.75 0.00 0.00 -0.43 0.00 0.00 46.19 46.51 2k4w s LEU 74 CO 0.00 -0.06 0.00 -0.90 -0.29 0.00 0.00 176.35 175.10 2k4w n ASP 75 N 4.13 0.00 0.06 3.68 5.75 -1.26 -2.88 116.55 126.02 2k4w n ASP 75 Ca 0.07 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.64 2k4w n ASP 75 Cb 0.61 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.56 2k4w n ASP 75 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 2k4w h PRO 76 N 0.00 0.33 0.00 0.11 0.13 -2.02 -3.45 132.00 127.10 2k4w h PRO 76 Ca 0.00 -0.57 -0.08 0.00 -0.87 0.00 0.00 66.00 64.49 2k4w h PRO 76 Cb 0.00 0.21 -0.08 0.00 0.13 0.00 0.00 31.00 31.26 2k4w h PRO 76 CO 0.00 1.23 -0.20 0.00 -0.23 0.00 0.00 178.00 178.80 2k4w n GLN 77 N -3.52 0.00 0.00 0.86 0.00 -1.26 -5.01 117.38 108.44 2k4w n GLN 77 Ca -0.23 -0.64 0.00 0.00 0.00 0.00 0.00 57.00 56.13 2k4w n GLN 77 Cb 1.06 0.28 0.00 0.00 0.00 0.00 0.00 30.24 31.59 2k4w n GLN 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2k4w n ASN 78 N 0.01 0.82 0.00 2.61 4.13 -1.26 -4.84 115.26 116.73 2k4w n ASN 78 Ca -0.16 -1.78 0.00 0.00 1.68 0.00 0.00 54.58 54.32 2k4w n ASN 78 Cb 0.63 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 38.46 2k4w n ASN 78 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 2k4w n THR 79 N 0.01 0.00 0.00 3.41 5.66 -1.26 -4.31 114.28 117.79 2k4w n THR 79 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2k4w n THR 79 Cb 0.20 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 2k4w n THR 79 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k4w n GLY 80 N 0.00 2.34 0.32 1.09 0.00 -1.18 -4.91 105.19 102.85 2k4w n GLY 80 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.24 2k4w n GLY 80 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2k4w h LYS 81 N 2.39 0.00 0.00 1.61 2.10 -1.81 -3.44 116.57 117.42 2k4w h LYS 81 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2k4w h LYS 81 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2k4w h LYS 81 CO 0.00 0.00 0.00 1.58 -2.00 0.00 0.00 179.45 179.03 2k4w n HIS 82 N -3.03 0.00 -2.05 0.07 -0.00 -0.49 -4.30 115.22 105.42 2k4w n HIS 82 Ca -0.02 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.32 2k4w n HIS 82 Cb 0.10 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.10 2k4w n HIS 82 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 2k4w s GLU 83 N -2.30 3.57 0.00 1.57 2.12 -1.26 -2.37 118.70 120.03 2k4w s GLU 83 Ca 0.00 2.01 0.00 0.00 0.36 0.00 0.00 54.97 57.34 2k4w s GLU 83 Cb 0.00 -2.41 0.00 0.00 0.26 0.00 0.00 34.13 31.98 2k4w s GLU 83 CO 0.00 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.36 2k4w n GLY 84 N 0.58 3.27 0.20 -1.50 0.00 -0.96 -0.83 105.19 105.95 2k4w n GLY 84 Ca 0.08 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 2k4w n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k4w h PRO 85 N 0.00 0.63 0.00 1.61 0.13 -1.95 -3.36 132.00 129.06 2k4w h PRO 85 Ca 0.00 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2k4w h PRO 85 Cb 0.00 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.16 2k4w h PRO 85 CO 0.00 0.99 0.00 -0.85 -0.23 0.00 0.00 178.00 177.91 2k4w n GLU 86 N -4.27 1.57 -3.17 0.86 0.28 -1.26 -5.10 120.64 109.55 2k4w n GLU 86 Ca -0.05 -0.32 -0.19 0.00 -0.16 0.00 0.00 57.16 56.44 2k4w n GLU 86 Cb 0.50 -0.81 0.01 0.00 1.43 0.00 0.00 31.44 32.57 2k4w n GLU 86 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2k4w s GLY 87 N -0.32 1.72 0.36 -1.84 0.00 -1.26 -5.14 107.32 100.85 2k4w s GLY 87 Ca 0.00 -1.45 -0.14 0.00 0.00 0.00 0.00 44.72 43.13 2k4w s GLY 87 CO 0.00 -1.30 0.73 1.62 0.00 0.00 0.00 173.10 174.14 2k4w s GLN 88 N -4.35 2.11 0.00 2.90 -0.44 -1.00 -2.25 119.66 116.64 2k4w s GLN 88 Ca 0.50 -1.42 0.00 0.00 -2.50 0.00 0.00 55.36 51.93 2k4w s GLN 88 Cb -0.10 0.59 0.00 0.00 -1.64 0.00 0.00 33.01 31.87 2k4w s GLN 88 CO 0.33 -0.97 0.00 0.41 0.50 0.00 0.00 175.29 175.56 2k4w n GLY 89 N -0.52 0.00 3.48 2.59 0.00 -1.26 -1.40 105.19 108.08 2k4w n GLY 89 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 2k4w n GLY 89 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2k4w s HIS 90 N -0.02 -0.61 -0.01 1.61 -3.43 -1.26 -3.07 115.29 108.50 2k4w s HIS 90 Ca 0.00 0.80 0.32 0.00 -0.80 0.00 0.00 55.06 55.38 2k4w s HIS 90 Cb 0.00 0.46 1.32 0.00 -1.43 0.00 0.00 32.58 32.93 2k4w s HIS 90 CO 0.00 -0.70 1.94 1.37 -2.00 0.00 0.00 174.74 175.35 2k4w h LEU 91 N 2.61 0.00 -1.13 5.38 8.10 -1.93 -1.88 115.31 126.47 2k4w h LEU 91 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.69 2k4w h LEU 91 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.43 2k4w h LEU 91 CO 0.39 0.00 0.00 0.61 -4.11 0.00 0.00 178.44 175.33 2k4w n GLY 92 N 0.00 0.35 3.74 0.17 0.00 -1.26 -4.83 105.19 103.36 2k4w n GLY 92 Ca 0.01 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 2k4w n GLY 92 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k4w s ASP 93 N -1.42 6.64 0.10 1.61 1.01 -0.71 -2.70 116.67 121.19 2k4w s ASP 93 Ca 0.30 2.64 -0.11 0.00 0.71 0.00 0.00 52.55 56.09 2k4w s ASP 93 Cb 0.16 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.49 2k4w s ASP 93 CO 0.24 -0.74 0.26 -0.76 0.21 0.00 0.00 175.17 174.38 2k4w s LEU 94 N 0.13 1.07 0.61 1.23 1.02 -1.26 -4.99 118.68 116.49 2k4w s LEU 94 Ca 0.63 -0.52 -0.16 0.00 0.02 0.00 0.00 54.13 54.09 2k4w s LEU 94 Cb -0.42 1.31 -0.03 0.00 0.02 0.00 0.00 46.19 47.07 2k4w s LEU 94 CO 0.39 -0.77 1.08 -2.16 0.02 0.00 0.00 176.35 174.92 2k4w s PRO 95 N -3.79 3.15 0.22 1.29 0.04 -1.26 -4.70 135.00 129.95 2k4w s PRO 95 Ca 0.04 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.10 2k4w s PRO 95 Cb 0.04 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 2k4w s PRO 95 CO -0.11 -0.96 1.14 0.14 0.04 0.00 0.00 177.00 177.25 2k4w s VAL 96 N -2.33 3.60 -0.73 -0.36 -7.23 -1.26 -4.37 120.40 107.72 2k4w s VAL 96 Ca 0.66 1.45 -0.26 0.00 -1.81 0.00 0.00 61.98 62.02 2k4w s VAL 96 Cb -0.18 -3.93 0.01 0.00 0.56 0.00 0.00 36.38 32.84 2k4w s VAL 96 CO 0.37 0.28 1.52 -0.22 -0.31 0.00 0.00 175.10 176.74 2k4w s LEU 97 N -0.76 3.23 0.11 1.32 2.96 0.11 -4.86 118.68 120.80 2k4w s LEU 97 Ca 0.49 -0.30 -0.30 0.00 -0.22 0.00 0.00 54.13 53.79 2k4w s LEU 97 Cb -0.32 -2.55 -0.07 0.00 0.50 0.00 0.00 46.19 43.75 2k4w s LEU 97 CO 0.38 -2.03 1.23 -0.69 -1.32 0.00 0.00 176.35 173.93 2k4w s VAL 98 N 6.97 3.75 -0.03 1.68 1.01 -1.26 -1.07 120.40 131.44 2k4w s VAL 98 Ca 0.48 1.32 0.07 0.00 0.00 0.00 0.00 61.98 63.85 2k4w s VAL 98 Cb -0.09 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 2k4w s VAL 98 CO 0.14 0.14 -0.25 -0.69 0.00 0.00 0.00 175.10 174.44 2k4w s VAL 99 N 0.71 2.14 0.45 2.92 1.01 0.53 -4.55 120.40 123.61 2k4w s VAL 99 Ca 0.58 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 2k4w s VAL 99 Cb -0.32 -1.76 -0.07 0.00 0.00 0.00 0.00 36.38 34.23 2k4w s VAL 99 CO 0.32 0.58 0.87 0.54 0.00 0.00 0.00 175.10 177.40 2k4w s ASN 100 N -0.49 6.58 0.15 3.32 2.20 -0.46 -3.87 114.94 122.38 2k4w s ASN 100 Ca 0.06 1.34 0.06 0.00 -0.94 0.00 0.00 52.86 53.39 2k4w s ASN 100 Cb -0.11 -2.41 0.34 0.00 -2.00 0.00 0.00 41.25 37.07 2k4w s ASN 100 CO 0.00 -0.48 1.04 -0.46 -2.94 0.00 0.00 177.10 174.27 2k4w n ASN 101 N -1.40 0.16 0.12 3.54 2.04 -1.18 -1.36 115.26 117.18 2k4w n ASN 101 Ca 0.04 0.43 0.09 0.00 -0.44 0.00 0.00 54.58 54.70 2k4w n ASN 101 Cb 0.54 -0.40 0.02 0.00 -2.53 0.00 0.00 39.78 37.41 2k4w n ASN 101 CO 0.00 0.00 0.00 -0.78 -0.44 0.00 0.00 177.26 176.04 2k4w h ASP 102 N 0.00 0.00 0.00 0.53 3.58 -1.93 -3.47 116.42 115.14 2k4w h ASP 102 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k4w h ASP 102 Cb 0.48 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2k4w h ASP 102 CO 0.00 0.16 0.00 0.61 -2.88 0.00 0.00 179.24 177.13 2k4w n GLY 103 N 1.21 1.24 3.37 -0.78 0.00 -0.47 -5.03 105.19 104.74 2k4w n GLY 103 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 2k4w n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2k4w s ILE 104 N -2.00 2.68 -0.17 -0.61 1.01 -1.24 -1.72 121.20 119.14 2k4w s ILE 104 Ca 0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 60.65 59.76 2k4w s ILE 104 Cb 0.00 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 2k4w s ILE 104 CO 0.00 0.57 -0.01 0.00 0.00 0.00 0.00 174.94 175.49 2k4w s ALA 105 N -0.27 3.06 0.00 9.38 0.00 -0.57 -1.35 121.76 132.01 2k4w s ALA 105 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.11 2k4w s ALA 105 Cb -0.13 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.33 2k4w s ALA 105 CO 0.03 0.11 0.57 -2.37 0.00 0.00 0.00 175.76 174.09 2k4w n THR 106 N 3.74 0.00 -2.96 0.00 5.66 -1.26 -2.64 114.28 116.81 2k4w n THR 106 Ca -0.17 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.41 2k4w n THR 106 Cb 0.52 0.58 -0.05 0.00 -1.55 0.00 0.00 70.33 69.83 2k4w n THR 106 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2k4w s GLU 107 N 0.00 4.07 0.12 1.09 0.41 -1.26 -4.71 118.70 118.42 2k4w s GLU 107 Ca 0.00 0.70 -0.30 0.00 -0.41 0.00 0.00 54.97 54.95 2k4w s GLU 107 Cb 0.00 -3.68 -0.07 0.00 -1.78 0.00 0.00 34.13 28.60 2k4w s GLU 107 CO 0.00 -0.57 1.14 -1.25 -0.49 0.00 0.00 175.26 174.09 2k4w s PRO 108 N 2.82 4.52 0.18 0.39 0.04 -1.26 -4.35 135.00 137.33 2k4w s PRO 108 Ca 0.32 1.73 -0.02 0.00 0.04 0.00 0.00 61.00 63.07 2k4w s PRO 108 Cb -0.15 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 2k4w s PRO 108 CO 0.10 -0.08 0.13 0.14 0.04 0.00 0.00 177.00 177.34 2k4w s VAL 109 N 0.36 0.03 0.00 -0.36 -7.23 -0.42 -5.02 120.40 107.77 2k4w s VAL 109 Ca 0.53 -1.91 -0.01 0.00 -1.81 0.00 0.00 61.98 58.78 2k4w s VAL 109 Cb -0.29 -2.31 -0.00 0.00 0.56 0.00 0.00 36.38 34.33 2k4w s VAL 109 CO 0.32 -0.15 0.01 -0.89 -0.31 0.00 0.00 175.10 174.08 2k4w s THR 110 N -4.11 0.04 -0.41 5.32 2.01 -1.26 -0.18 115.64 117.05 2k4w s THR 110 Ca 0.33 -0.31 -0.02 0.00 0.31 0.00 0.00 61.69 62.00 2k4w s THR 110 Cb 0.07 -0.13 0.11 0.00 0.01 0.00 0.00 72.50 72.56 2k4w s THR 110 CO 0.08 -0.17 0.19 0.00 -0.69 0.00 0.00 174.62 174.03 2k4w s ALA 111 N -0.51 3.13 -1.14 7.40 0.00 -0.31 -4.87 121.76 125.46 2k4w s ALA 111 Ca -0.06 -2.59 0.00 0.00 0.00 0.00 0.00 51.96 49.32 2k4w s ALA 111 Cb -0.04 -2.34 0.00 0.00 0.00 0.00 0.00 23.12 20.74 2k4w s ALA 111 CO -0.00 -1.80 0.53 -0.35 0.00 0.00 0.00 175.76 174.14 2k4w n PRO 112 N 4.45 0.93 0.05 0.00 -0.04 -1.10 -2.18 135.00 137.10 2k4w n PRO 112 Ca -0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 2k4w n PRO 112 Cb 0.41 -1.40 0.04 0.00 -0.04 0.00 0.00 33.50 32.51 2k4w n PRO 112 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k4w h ARG 113 N 0.06 0.42 -6.25 0.54 2.47 -1.88 -3.46 114.38 106.28 2k4w h ARG 113 Ca 0.00 -0.33 -0.47 0.00 -1.26 0.00 0.00 59.98 57.92 2k4w h ARG 113 Cb 0.40 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.76 2k4w h ARG 113 CO 0.00 0.96 -0.40 -0.51 0.56 0.00 0.00 179.97 180.58 2k4w s LEU 114 N -8.01 3.77 0.00 3.04 2.01 -1.24 -5.07 118.68 113.19 2k4w s LEU 114 Ca -0.06 -0.35 0.00 0.00 0.01 0.00 0.00 54.13 53.73 2k4w s LEU 114 Cb 0.11 -2.46 0.00 0.00 0.01 0.00 0.00 46.19 43.84 2k4w s LEU 114 CO 0.84 -0.39 0.31 0.29 1.01 0.00 0.00 176.35 178.41 2k4w n LYS 115 N -1.50 0.02 -3.90 1.70 4.01 -1.26 -3.57 118.16 113.66 2k4w n LYS 115 Ca -0.01 -0.35 -0.09 0.00 -0.51 0.00 0.00 58.31 57.35 2k4w n LYS 115 Cb 0.59 -0.67 -0.05 0.00 -0.51 0.00 0.00 35.03 34.39 2k4w n LYS 115 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 2k4w s SER 116 N -0.09 -0.12 -0.11 4.39 1.04 -1.26 -4.65 113.70 112.90 2k4w s SER 116 Ca 0.00 -0.75 -0.18 0.00 0.48 0.00 0.00 55.95 55.50 2k4w s SER 116 Cb 0.00 0.55 -0.27 0.00 0.10 0.00 0.00 66.02 66.40 2k4w s SER 116 CO 0.00 -1.05 0.57 0.25 0.98 0.00 0.00 173.24 173.99 2k4w h LEU 117 N 2.31 0.34 -2.55 2.42 5.85 -1.95 -3.39 115.31 118.33 2k4w h LEU 117 Ca -0.28 -0.84 0.01 0.00 0.84 0.00 0.00 57.88 57.60 2k4w h LEU 117 Cb 1.25 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 2k4w h LEU 117 CO 0.39 1.55 0.04 0.44 -0.34 0.00 0.00 178.44 180.53 2k4w h ASP 118 N -0.40 0.00 0.78 1.25 5.19 -1.98 -0.98 116.42 120.27 2k4w h ASP 118 Ca -0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 2k4w h ASP 118 Cb 1.67 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.18 2k4w h ASP 118 CO 0.04 0.00 0.00 -1.84 -3.12 0.00 0.00 179.24 174.32 2k4w n GLU 119 N -3.61 0.11 -0.04 3.56 0.28 -1.26 -3.08 120.64 116.59 2k4w n GLU 119 Ca -0.02 0.27 0.06 0.00 -0.16 0.00 0.00 57.16 57.31 2k4w n GLU 119 Cb 0.13 -1.68 0.08 0.00 1.43 0.00 0.00 31.44 31.40 2k4w n GLU 119 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 2k4w n VAL 120 N -1.87 1.52 0.29 3.84 0.24 -0.38 -4.87 118.33 117.10 2k4w n VAL 120 Ca 0.04 -1.74 0.11 0.00 -2.04 0.00 0.00 64.34 60.70 2k4w n VAL 120 Cb 0.25 0.07 0.58 0.00 -1.47 0.00 0.00 33.84 33.27 2k4w n VAL 120 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2k4w h LYS 121 N 0.02 0.00 0.00 7.34 2.10 -1.53 -2.42 116.57 122.08 2k4w h LYS 121 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2k4w h LYS 121 Cb 0.80 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 2k4w h LYS 121 CO 0.00 0.00 -0.01 -0.40 -2.00 0.00 0.00 179.45 177.04 2k4w n ASP 122 N -2.59 1.85 -4.96 7.07 5.68 -1.26 -4.00 116.55 118.35 2k4w n ASP 122 Ca -0.01 -2.06 -0.19 0.00 -0.50 0.00 0.00 54.79 52.03 2k4w n ASP 122 Cb 0.44 -0.06 -0.01 0.00 -1.14 0.00 0.00 41.12 40.36 2k4w n ASP 122 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2k4w s LYS 123 N -1.15 2.72 -0.17 0.11 -0.14 -0.91 -2.19 119.74 118.01 2k4w s LYS 123 Ca 0.04 -1.35 -0.11 0.00 -1.36 0.00 0.00 55.97 53.19 2k4w s LYS 123 Cb 0.04 -2.61 -0.05 0.00 -1.68 0.00 0.00 37.83 33.53 2k4w s LYS 123 CO 0.00 -0.23 0.20 0.00 -0.76 0.00 0.00 175.35 174.56 2k4w s ALA 124 N -2.39 3.68 -0.04 5.17 0.00 -1.12 -1.37 121.76 125.69 2k4w s ALA 124 Ca 0.52 -0.59 -0.19 0.00 0.00 0.00 0.00 51.96 51.70 2k4w s ALA 124 Cb -0.07 -2.23 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 2k4w s ALA 124 CO 0.31 0.20 0.55 -0.51 0.00 0.00 0.00 175.76 176.32 2k4w s LEU 125 N 0.18 4.38 -0.03 0.00 1.43 -0.02 -2.15 118.68 122.46 2k4w s LEU 125 Ca 0.12 1.06 0.01 0.00 -1.03 0.00 0.00 54.13 54.29 2k4w s LEU 125 Cb -0.12 -2.84 0.02 0.00 0.03 0.00 0.00 46.19 43.28 2k4w s LEU 125 CO 0.01 0.09 -0.03 -0.04 0.23 0.00 0.00 176.35 176.61 2k4w s MET 126 N -0.02 0.54 -0.36 1.70 -1.94 -0.88 -1.86 119.30 116.49 2k4w s MET 126 Ca 0.29 -0.04 -0.29 0.00 -1.71 0.00 0.00 55.69 53.95 2k4w s MET 126 Cb -0.17 -0.62 0.02 0.00 2.01 0.00 0.00 34.83 36.07 2k4w s MET 126 CO 0.15 -0.08 1.15 0.42 -0.01 0.00 0.00 175.02 176.65 2k4w s ILE 127 N 0.81 4.33 0.24 2.53 1.01 -0.39 -2.95 121.20 126.79 2k4w s ILE 127 Ca -0.09 1.49 -0.16 0.00 0.00 0.00 0.00 60.65 61.88 2k4w s ILE 127 Cb -0.13 -4.40 -0.08 0.00 0.01 0.00 0.00 42.46 37.86 2k4w s ILE 127 CO -0.01 -0.62 0.68 -1.00 0.00 0.00 0.00 174.94 174.00 2k4w s HIS 128 N 4.07 3.53 0.21 3.97 3.76 -0.26 -0.31 115.29 130.24 2k4w s HIS 128 Ca 0.49 1.23 -0.05 0.00 -0.15 0.00 0.00 55.06 56.58 2k4w s HIS 128 Cb -0.12 -2.51 0.16 0.00 1.11 0.00 0.00 32.58 31.22 2k4w s HIS 128 CO 0.22 0.27 1.60 0.28 -0.85 0.00 0.00 174.74 176.26 2k4w h VAL 129 N 2.43 1.28 -0.95 -0.90 2.07 -0.85 -3.37 116.25 115.95 2k4w h VAL 129 Ca -0.48 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 65.65 2k4w h VAL 129 Cb 1.18 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2k4w h VAL 129 CO 0.66 0.46 0.00 0.61 0.02 0.00 0.00 177.57 179.32 2k4w n GLY 130 N -0.16 -1.90 0.00 2.17 0.00 -0.96 -4.86 105.19 99.48 2k4w n GLY 130 Ca -0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2k4w n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 131 N 3.10 3.80 3.45 -0.02 0.00 -1.26 -1.01 105.19 113.23 2k4w n GLY 131 Ca 0.00 -1.78 -0.17 0.00 0.00 0.00 0.00 46.02 44.08 2k4w n GLY 131 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k4w s ASP 132 N 0.18 -0.54 0.00 1.61 -1.08 -1.26 -2.80 116.67 112.78 2k4w s ASP 132 Ca 0.00 0.58 0.00 0.00 -0.52 0.00 0.00 52.55 52.61 2k4w s ASP 132 Cb 0.00 0.51 0.00 0.00 -1.46 0.00 0.00 42.92 41.97 2k4w s ASP 132 CO 0.00 -0.55 0.00 -3.20 0.52 0.00 0.00 175.17 171.94 2k4w n ASN 133 N 1.09 0.00 -2.72 -0.34 5.15 -1.25 -4.92 115.26 112.26 2k4w n ASN 133 Ca -0.19 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.72 2k4w n ASN 133 Cb 0.57 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 39.88 2k4w n ASN 133 CO 0.00 0.00 0.00 1.15 1.40 0.00 0.00 177.26 179.81 2k4w n MET 134 N 0.00 0.60 -0.00 1.20 0.00 -0.01 -4.88 117.12 114.03 2k4w n MET 134 Ca 0.00 -1.43 0.12 0.00 0.00 0.00 0.00 57.70 56.39 2k4w n MET 134 Cb 0.00 -1.07 0.20 0.00 0.00 0.00 0.00 33.22 32.34 2k4w n MET 134 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2k4w n SER 135 N 1.52 2.67 -2.72 3.17 3.41 -1.15 -2.62 113.62 117.90 2k4w n SER 135 Ca 0.06 -1.89 -0.07 0.00 -0.26 0.00 0.00 58.87 56.71 2k4w n SER 135 Cb 0.66 -0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.68 2k4w n SER 135 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k4w n ASP 136 N 1.09 -2.25 -4.18 4.04 2.03 -1.26 -4.54 116.55 111.48 2k4w n ASP 136 Ca 0.15 -3.14 -0.19 0.00 0.52 0.00 0.00 54.79 52.14 2k4w n ASP 136 Cb 0.55 1.68 -0.12 0.00 -0.72 0.00 0.00 41.12 42.50 2k4w n ASP 136 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2k4w s GLN 137 N 0.35 0.84 0.35 -0.67 1.11 -1.26 -5.06 119.66 115.32 2k4w s GLN 137 Ca 0.25 -0.96 0.03 0.00 0.01 0.00 0.00 55.36 54.69 2k4w s GLN 137 Cb 0.27 -0.87 0.64 0.00 -1.01 0.00 0.00 33.01 32.04 2k4w s GLN 137 CO -0.14 0.19 1.97 -1.00 0.01 0.00 0.00 175.29 176.33 2k4w h PRO 138 N 4.31 0.73 -5.15 2.91 0.13 -2.00 -2.24 132.00 130.69 2k4w h PRO 138 Ca -0.41 -0.07 -0.66 0.00 -0.87 0.00 0.00 66.00 63.99 2k4w h PRO 138 Cb 1.19 -0.15 -0.16 0.00 0.13 0.00 0.00 31.00 32.01 2k4w h PRO 138 CO 0.40 0.55 -0.10 0.15 -0.23 0.00 0.00 178.00 178.77 2k4w s LYS 139 N -5.49 3.50 0.86 0.86 -0.14 -1.26 -5.09 119.74 112.98 2k4w s LYS 139 Ca -0.09 -0.32 -0.11 0.00 -1.36 0.00 0.00 55.97 54.09 2k4w s LYS 139 Cb 0.17 -3.85 0.11 0.00 -1.68 0.00 0.00 37.83 32.58 2k4w s LYS 139 CO 0.76 -0.69 1.09 -1.25 -0.76 0.00 0.00 175.35 174.51 2k4w s PRO 140 N 2.33 1.55 -1.80 -1.68 0.04 -0.85 -2.62 135.00 131.98 2k4w s PRO 140 Ca 0.17 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.18 2k4w s PRO 140 Cb -0.16 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2k4w s PRO 140 CO 0.14 -2.08 0.00 -0.11 0.04 0.00 0.00 177.00 174.99 2k4w n LEU 141 N -3.79 -1.86 0.00 -3.56 0.00 -1.08 -2.30 117.00 104.41 2k4w n LEU 141 Ca 0.08 0.06 0.00 0.00 0.00 0.00 0.00 56.01 56.15 2k4w n LEU 141 Cb 0.54 -2.86 0.00 0.00 0.00 0.00 0.00 43.42 41.10 2k4w n LEU 141 CO 0.55 -0.34 0.00 0.61 0.00 0.00 0.00 177.39 178.20 2k4w n GLY 142 N -0.94 0.16 2.69 -3.96 0.00 -1.19 -1.22 105.19 100.73 2k4w n GLY 142 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2k4w n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 143 N -1.30 0.76 1.62 -0.02 0.00 -0.97 -4.94 105.19 100.34 2k4w n GLY 143 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2k4w n GLY 143 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 144 N -2.28 3.33 0.03 -0.02 0.00 -0.36 -4.54 105.19 101.35 2k4w n GLY 144 Ca 0.00 -0.62 0.15 0.00 0.00 0.00 0.00 46.02 45.55 2k4w n GLY 144 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4w n GLY 145 N 0.03 -1.14 3.74 -0.02 0.00 -1.26 -2.27 105.19 104.27 2k4w n GLY 145 Ca 0.26 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 2k4w n GLY 145 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k4w s THR 146 N -2.44 2.63 -0.13 2.61 -4.23 -1.26 -4.91 115.64 107.91 2k4w s THR 146 Ca 0.32 0.34 -0.03 0.00 -1.18 0.00 0.00 61.69 61.15 2k4w s THR 146 Cb 0.21 -2.98 -0.03 0.00 1.34 0.00 0.00 72.50 71.04 2k4w s THR 146 CO 0.45 -0.14 -0.04 -0.13 -0.54 0.00 0.00 174.62 174.22 2k4w s ARG 147 N -3.70 3.45 0.18 3.99 1.81 -1.26 -0.44 118.95 122.97 2k4w s ARG 147 Ca 0.74 -0.52 0.02 0.00 -1.72 0.00 0.00 55.73 54.24 2k4w s ARG 147 Cb -0.28 -2.84 0.06 0.00 -0.45 0.00 0.00 34.95 31.44 2k4w s ARG 147 CO 0.39 0.35 1.42 -0.92 -0.68 0.00 0.00 175.30 175.87 2k4w h TYR 148 N 6.32 0.37 -3.19 -0.53 3.20 -0.92 -3.43 116.97 118.79 2k4w h TYR 148 Ca -0.35 -0.18 -0.15 0.00 3.14 0.00 0.00 58.73 61.19 2k4w h TYR 148 Cb 1.19 -0.05 -0.23 0.00 1.54 0.00 0.00 36.73 39.18 2k4w h TYR 148 CO 0.54 0.95 -0.40 0.00 -1.64 0.00 0.00 178.16 177.62 2k4w s ALA 149 N -3.41 -0.60 1.11 1.82 0.00 -1.05 -2.73 121.76 116.90 2k4w s ALA 149 Ca -0.04 0.40 -0.09 0.00 0.00 0.00 0.00 51.96 52.24 2k4w s ALA 149 Cb 0.10 -0.16 0.13 0.00 0.00 0.00 0.00 23.12 23.20 2k4w s ALA 149 CO 0.83 -0.18 0.44 0.00 0.00 0.00 0.00 175.76 176.84 2k4w n GLY 151 N -0.72 -1.80 3.69 0.00 0.00 -0.77 -3.73 105.19 101.86 2k4w n GLY 151 Ca 0.06 0.68 -0.42 0.00 0.00 0.00 0.00 46.02 46.34 2k4w n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4w s VAL 152 N 0.00 2.61 0.03 1.61 0.11 -1.26 -0.84 120.40 122.66 2k4w s VAL 152 Ca 0.00 0.17 -0.29 0.00 -2.93 0.00 0.00 61.98 58.94 2k4w s VAL 152 Cb 0.00 -3.11 -0.04 0.00 -1.53 0.00 0.00 36.38 31.70 2k4w s VAL 152 CO 0.00 0.00 0.92 -0.63 -3.33 0.00 0.00 175.10 172.06 2k4w s ILE 153 N 2.49 4.75 -2.00 7.04 1.01 -0.47 -4.85 121.20 129.17 2k4w s ILE 153 Ca 0.78 1.94 0.12 0.00 0.00 0.00 0.00 60.65 63.50 2k4w s ILE 153 Cb -0.45 -4.26 0.35 0.00 0.01 0.00 0.00 42.46 38.11 2k4w s ILE 153 CO 0.35 0.25 1.17 0.29 0.00 0.00 0.00 174.94 177.00